source: trunk/help/gsasII.html @ 519

Last change on this file since 519 was 519, checked in by vondreele, 12 years ago

fixes to ViewParmDialog? try to get size right
add copy of refinement flags to various parameters
put some comment section breaks in
fix to eA derivative & wRp in seq refinement
add to help/gsasII.html
File size: 190.4 KB
Line 
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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>70</o:Revision>
28  <o:TotalTime>2555</o:TotalTime>
29  <o:Created>2011-11-28T16:49:00Z</o:Created>
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379        font-family:"Times New Roman","serif";
380        mso-fareast-font-family:"Times New Roman";
381        mso-fareast-theme-font:minor-fareast;}
382h1
383        {mso-style-priority:9;
384        mso-style-unhide:no;
385        mso-style-qformat:yes;
386        mso-style-link:"Heading 1 Char";
387        mso-margin-top-alt:auto;
388        margin-right:0in;
389        mso-margin-bottom-alt:auto;
390        margin-left:0in;
391        mso-pagination:widow-orphan;
392        mso-outline-level:1;
393        font-size:24.0pt;
394        font-family:"Times New Roman","serif";
395        mso-fareast-font-family:"Times New Roman";
396        mso-fareast-theme-font:minor-fareast;
397        font-weight:bold;}
398h2
399        {mso-style-priority:9;
400        mso-style-unhide:no;
401        mso-style-qformat:yes;
402        mso-style-link:"Heading 2 Char";
403        mso-margin-top-alt:auto;
404        margin-right:0in;
405        mso-margin-bottom-alt:auto;
406        margin-left:0in;
407        mso-pagination:widow-orphan;
408        mso-outline-level:2;
409        font-size:18.0pt;
410        font-family:"Times New Roman","serif";
411        mso-fareast-font-family:"Times New Roman";
412        mso-fareast-theme-font:minor-fareast;
413        font-weight:bold;}
414h3
415        {mso-style-priority:9;
416        mso-style-unhide:no;
417        mso-style-qformat:yes;
418        mso-style-link:"Heading 3 Char";
419        mso-margin-top-alt:auto;
420        margin-right:0in;
421        mso-margin-bottom-alt:auto;
422        margin-left:0in;
423        mso-pagination:widow-orphan;
424        mso-outline-level:3;
425        font-size:13.5pt;
426        font-family:"Times New Roman","serif";
427        mso-fareast-font-family:"Times New Roman";
428        mso-fareast-theme-font:minor-fareast;
429        font-weight:bold;}
430h4
431        {mso-style-noshow:yes;
432        mso-style-priority:9;
433        mso-style-qformat:yes;
434        mso-style-link:"Heading 4 Char";
435        mso-style-next:Normal;
436        margin-top:10.0pt;
437        margin-right:0in;
438        margin-bottom:0in;
439        margin-left:0in;
440        margin-bottom:.0001pt;
441        mso-pagination:widow-orphan lines-together;
442        page-break-after:avoid;
443        mso-outline-level:4;
444        font-size:13.0pt;
445        font-family:"Cambria","serif";
446        mso-ascii-font-family:Cambria;
447        mso-ascii-theme-font:major-latin;
448        mso-fareast-font-family:"Times New Roman";
449        mso-fareast-theme-font:major-fareast;
450        mso-hansi-font-family:Cambria;
451        mso-hansi-theme-font:major-latin;
452        mso-bidi-font-family:"Times New Roman";
453        mso-bidi-theme-font:major-bidi;
454        color:#4F81BD;
455        mso-themecolor:accent1;
456        font-weight:bold;
457        font-style:italic;}
458h5
459        {mso-style-noshow:yes;
460        mso-style-priority:9;
461        mso-style-qformat:yes;
462        mso-style-link:"Heading 5 Char";
463        mso-margin-top-alt:auto;
464        margin-right:0in;
465        mso-margin-bottom-alt:auto;
466        margin-left:0in;
467        mso-pagination:widow-orphan;
468        mso-outline-level:5;
469        font-size:12.0pt;
470        font-family:"Times New Roman","serif";
471        mso-fareast-font-family:"Times New Roman";
472        mso-fareast-theme-font:minor-fareast;
473        color:#4F4FFF;
474        font-weight:bold;}
475a:link, span.MsoHyperlink
476        {mso-style-priority:99;
477        color:blue;
478        text-decoration:underline;
479        text-underline:single;}
480a:visited, span.MsoHyperlinkFollowed
481        {mso-style-noshow:yes;
482        mso-style-priority:99;
483        color:purple;
484        text-decoration:underline;
485        text-underline:single;}
486p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
487        {mso-style-noshow:yes;
488        mso-style-priority:99;
489        mso-style-link:"Document Map Char";
490        margin:0in;
491        margin-bottom:.0001pt;
492        mso-pagination:widow-orphan;
493        font-size:8.0pt;
494        font-family:"Tahoma","sans-serif";
495        mso-fareast-font-family:"Times New Roman";
496        mso-fareast-theme-font:minor-fareast;}
497p
498        {mso-style-noshow:yes;
499        mso-style-priority:99;
500        mso-margin-top-alt:auto;
501        margin-right:0in;
502        mso-margin-bottom-alt:auto;
503        margin-left:0in;
504        mso-pagination:widow-orphan;
505        font-size:12.0pt;
506        font-family:"Times New Roman","serif";
507        mso-fareast-font-family:"Times New Roman";
508        mso-fareast-theme-font:minor-fareast;}
509pre
510        {mso-style-noshow:yes;
511        mso-style-priority:99;
512        mso-style-link:"HTML Preformatted Char";
513        margin:0in;
514        margin-bottom:.0001pt;
515        mso-pagination:widow-orphan;
516        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
517        font-size:10.0pt;
518        font-family:"Courier New";
519        mso-fareast-font-family:"Times New Roman";}
520p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
521        {mso-style-noshow:yes;
522        mso-style-priority:99;
523        mso-style-link:"Balloon Text Char";
524        margin:0in;
525        margin-bottom:.0001pt;
526        mso-pagination:widow-orphan;
527        font-size:8.0pt;
528        font-family:"Tahoma","sans-serif";
529        mso-fareast-font-family:"Times New Roman";
530        mso-fareast-theme-font:minor-fareast;}
531span.MsoPlaceholderText
532        {mso-style-noshow:yes;
533        mso-style-priority:99;
534        mso-style-unhide:no;
535        color:gray;}
536p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
537        {mso-style-noshow:yes;
538        mso-style-priority:1;
539        mso-style-unhide:no;
540        mso-style-qformat:yes;
541        mso-style-parent:"";
542        margin:0in;
543        margin-bottom:.0001pt;
544        mso-pagination:widow-orphan;
545        font-size:12.0pt;
546        font-family:"Times New Roman","serif";
547        mso-fareast-font-family:"Times New Roman";
548        mso-fareast-theme-font:minor-fareast;}
549p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
550        {mso-style-noshow:yes;
551        mso-style-priority:34;
552        mso-style-unhide:no;
553        mso-style-qformat:yes;
554        margin-top:0in;
555        margin-right:0in;
556        margin-bottom:0in;
557        margin-left:.5in;
558        margin-bottom:.0001pt;
559        mso-add-space:auto;
560        mso-pagination:widow-orphan;
561        font-size:12.0pt;
562        font-family:"Times New Roman","serif";
563        mso-fareast-font-family:"Times New Roman";
564        mso-fareast-theme-font:minor-fareast;}
565p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
566        {mso-style-noshow:yes;
567        mso-style-priority:34;
568        mso-style-unhide:no;
569        mso-style-qformat:yes;
570        mso-style-type:export-only;
571        margin-top:0in;
572        margin-right:0in;
573        margin-bottom:0in;
574        margin-left:.5in;
575        margin-bottom:.0001pt;
576        mso-add-space:auto;
577        mso-pagination:widow-orphan;
578        font-size:12.0pt;
579        font-family:"Times New Roman","serif";
580        mso-fareast-font-family:"Times New Roman";
581        mso-fareast-theme-font:minor-fareast;}
582p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
583        {mso-style-noshow:yes;
584        mso-style-priority:34;
585        mso-style-unhide:no;
586        mso-style-qformat:yes;
587        mso-style-type:export-only;
588        margin-top:0in;
589        margin-right:0in;
590        margin-bottom:0in;
591        margin-left:.5in;
592        margin-bottom:.0001pt;
593        mso-add-space:auto;
594        mso-pagination:widow-orphan;
595        font-size:12.0pt;
596        font-family:"Times New Roman","serif";
597        mso-fareast-font-family:"Times New Roman";
598        mso-fareast-theme-font:minor-fareast;}
599p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
600        {mso-style-noshow:yes;
601        mso-style-priority:34;
602        mso-style-unhide:no;
603        mso-style-qformat:yes;
604        mso-style-type:export-only;
605        margin-top:0in;
606        margin-right:0in;
607        margin-bottom:0in;
608        margin-left:.5in;
609        margin-bottom:.0001pt;
610        mso-add-space:auto;
611        mso-pagination:widow-orphan;
612        font-size:12.0pt;
613        font-family:"Times New Roman","serif";
614        mso-fareast-font-family:"Times New Roman";
615        mso-fareast-theme-font:minor-fareast;}
616span.Heading1Char
617        {mso-style-name:"Heading 1 Char";
618        mso-style-priority:9;
619        mso-style-unhide:no;
620        mso-style-locked:yes;
621        mso-style-link:"Heading 1";
622        mso-ansi-font-size:14.0pt;
623        mso-bidi-font-size:14.0pt;
624        font-family:"Cambria","serif";
625        mso-ascii-font-family:Cambria;
626        mso-ascii-theme-font:major-latin;
627        mso-fareast-font-family:"Times New Roman";
628        mso-fareast-theme-font:major-fareast;
629        mso-hansi-font-family:Cambria;
630        mso-hansi-theme-font:major-latin;
631        mso-bidi-font-family:"Times New Roman";
632        mso-bidi-theme-font:major-bidi;
633        color:#365F91;
634        mso-themecolor:accent1;
635        mso-themeshade:191;
636        font-weight:bold;}
637span.Heading2Char
638        {mso-style-name:"Heading 2 Char";
639        mso-style-noshow:yes;
640        mso-style-priority:9;
641        mso-style-unhide:no;
642        mso-style-locked:yes;
643        mso-style-link:"Heading 2";
644        mso-ansi-font-size:13.0pt;
645        mso-bidi-font-size:13.0pt;
646        font-family:"Cambria","serif";
647        mso-ascii-font-family:Cambria;
648        mso-ascii-theme-font:major-latin;
649        mso-fareast-font-family:"Times New Roman";
650        mso-fareast-theme-font:major-fareast;
651        mso-hansi-font-family:Cambria;
652        mso-hansi-theme-font:major-latin;
653        mso-bidi-font-family:"Times New Roman";
654        mso-bidi-theme-font:major-bidi;
655        color:#4F81BD;
656        mso-themecolor:accent1;
657        font-weight:bold;}
658span.Heading3Char
659        {mso-style-name:"Heading 3 Char";
660        mso-style-noshow:yes;
661        mso-style-priority:9;
662        mso-style-unhide:no;
663        mso-style-locked:yes;
664        mso-style-link:"Heading 3";
665        mso-ansi-font-size:12.0pt;
666        mso-bidi-font-size:12.0pt;
667        font-family:"Cambria","serif";
668        mso-ascii-font-family:Cambria;
669        mso-ascii-theme-font:major-latin;
670        mso-fareast-font-family:"Times New Roman";
671        mso-fareast-theme-font:major-fareast;
672        mso-hansi-font-family:Cambria;
673        mso-hansi-theme-font:major-latin;
674        mso-bidi-font-family:"Times New Roman";
675        mso-bidi-theme-font:major-bidi;
676        color:#4F81BD;
677        mso-themecolor:accent1;
678        font-weight:bold;}
679span.Heading4Char
680        {mso-style-name:"Heading 4 Char";
681        mso-style-noshow:yes;
682        mso-style-priority:9;
683        mso-style-unhide:no;
684        mso-style-locked:yes;
685        mso-style-link:"Heading 4";
686        mso-ansi-font-size:12.0pt;
687        mso-bidi-font-size:12.0pt;
688        font-family:"Cambria","serif";
689        mso-ascii-font-family:Cambria;
690        mso-ascii-theme-font:major-latin;
691        mso-fareast-font-family:"Times New Roman";
692        mso-fareast-theme-font:major-fareast;
693        mso-hansi-font-family:Cambria;
694        mso-hansi-theme-font:major-latin;
695        mso-bidi-font-family:"Times New Roman";
696        mso-bidi-theme-font:major-bidi;
697        color:#4F81BD;
698        mso-themecolor:accent1;
699        font-weight:bold;
700        font-style:italic;}
701span.Heading5Char
702        {mso-style-name:"Heading 5 Char";
703        mso-style-noshow:yes;
704        mso-style-priority:9;
705        mso-style-unhide:no;
706        mso-style-locked:yes;
707        mso-style-link:"Heading 5";
708        mso-ansi-font-size:12.0pt;
709        mso-bidi-font-size:12.0pt;
710        font-family:"Cambria","serif";
711        mso-ascii-font-family:Cambria;
712        mso-ascii-theme-font:major-latin;
713        mso-fareast-font-family:"Times New Roman";
714        mso-fareast-theme-font:major-fareast;
715        mso-hansi-font-family:Cambria;
716        mso-hansi-theme-font:major-latin;
717        mso-bidi-font-family:"Times New Roman";
718        mso-bidi-theme-font:major-bidi;
719        color:#243F60;
720        mso-themecolor:accent1;
721        mso-themeshade:127;}
722span.HTMLPreformattedChar
723        {mso-style-name:"HTML Preformatted Char";
724        mso-style-noshow:yes;
725        mso-style-priority:99;
726        mso-style-unhide:no;
727        mso-style-locked:yes;
728        mso-style-link:"HTML Preformatted";
729        font-family:"Courier New";
730        mso-ascii-font-family:"Courier New";
731        mso-hansi-font-family:"Courier New";
732        mso-bidi-font-family:"Courier New";}
733span.DocumentMapChar
734        {mso-style-name:"Document Map Char";
735        mso-style-noshow:yes;
736        mso-style-priority:99;
737        mso-style-unhide:no;
738        mso-style-locked:yes;
739        mso-style-link:"Document Map";
740        mso-ansi-font-size:8.0pt;
741        mso-bidi-font-size:8.0pt;
742        font-family:"Tahoma","sans-serif";
743        mso-ascii-font-family:Tahoma;
744        mso-fareast-font-family:"Times New Roman";
745        mso-fareast-theme-font:minor-fareast;
746        mso-hansi-font-family:Tahoma;
747        mso-bidi-font-family:Tahoma;}
748span.BalloonTextChar
749        {mso-style-name:"Balloon Text Char";
750        mso-style-noshow:yes;
751        mso-style-priority:99;
752        mso-style-unhide:no;
753        mso-style-locked:yes;
754        mso-style-link:"Balloon Text";
755        mso-ansi-font-size:8.0pt;
756        mso-bidi-font-size:8.0pt;
757        font-family:"Tahoma","sans-serif";
758        mso-ascii-font-family:Tahoma;
759        mso-fareast-font-family:"Times New Roman";
760        mso-fareast-theme-font:minor-fareast;
761        mso-hansi-font-family:Tahoma;
762        mso-bidi-font-family:Tahoma;}
763span.SpellE
764        {mso-style-name:"";
765        mso-spl-e:yes;}
766span.GramE
767        {mso-style-name:"";
768        mso-gram-e:yes;}
769.MsoChpDefault
770        {mso-style-type:export-only;
771        mso-default-props:yes;
772        font-size:10.0pt;
773        mso-ansi-font-size:10.0pt;
774        mso-bidi-font-size:10.0pt;}
775@page WordSection1
776        {size:8.5in 11.0in;
777        margin:1.0in 1.0in 1.0in 1.0in;
778        mso-header-margin:.5in;
779        mso-footer-margin:.5in;
780        mso-paper-source:0;}
781div.WordSection1
782        {page:WordSection1;}
783 /* List Definitions */
784 @list l0
785        {mso-list-id:142163818;
786        mso-list-type:hybrid;
787        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
788@list l0:level1
789        {mso-level-tab-stop:none;
790        mso-level-number-position:left;
791        text-indent:-.25in;}
792@list l0:level2
793        {mso-level-number-format:alpha-lower;
794        mso-level-tab-stop:none;
795        mso-level-number-position:left;
796        text-indent:-.25in;}
797@list l0:level3
798        {mso-level-number-format:roman-lower;
799        mso-level-tab-stop:none;
800        mso-level-number-position:right;
801        text-indent:-9.0pt;}
802@list l0:level4
803        {mso-level-tab-stop:2.0in;
804        mso-level-number-position:left;
805        text-indent:-.25in;}
806@list l0:level5
807        {mso-level-tab-stop:2.5in;
808        mso-level-number-position:left;
809        text-indent:-.25in;}
810@list l0:level6
811        {mso-level-tab-stop:3.0in;
812        mso-level-number-position:left;
813        text-indent:-.25in;}
814@list l0:level7
815        {mso-level-tab-stop:3.5in;
816        mso-level-number-position:left;
817        text-indent:-.25in;}
818@list l0:level8
819        {mso-level-tab-stop:4.0in;
820        mso-level-number-position:left;
821        text-indent:-.25in;}
822@list l0:level9
823        {mso-level-tab-stop:4.5in;
824        mso-level-number-position:left;
825        text-indent:-.25in;}
826@list l1
827        {mso-list-id:203979460;
828        mso-list-template-ids:88359672;}
829@list l1:level1
830        {mso-level-number-format:bullet;
831        mso-level-text:\F0B7;
832        mso-level-tab-stop:.5in;
833        mso-level-number-position:left;
834        text-indent:-.25in;
835        mso-ansi-font-size:10.0pt;
836        font-family:Symbol;}
837@list l1:level2
838        {mso-level-tab-stop:1.0in;
839        mso-level-number-position:left;
840        text-indent:-.25in;}
841@list l1:level3
842        {mso-level-tab-stop:1.5in;
843        mso-level-number-position:left;
844        text-indent:-.25in;}
845@list l1:level4
846        {mso-level-tab-stop:2.0in;
847        mso-level-number-position:left;
848        text-indent:-.25in;}
849@list l1:level5
850        {mso-level-tab-stop:2.5in;
851        mso-level-number-position:left;
852        text-indent:-.25in;}
853@list l1:level6
854        {mso-level-tab-stop:3.0in;
855        mso-level-number-position:left;
856        text-indent:-.25in;}
857@list l1:level7
858        {mso-level-tab-stop:3.5in;
859        mso-level-number-position:left;
860        text-indent:-.25in;}
861@list l1:level8
862        {mso-level-tab-stop:4.0in;
863        mso-level-number-position:left;
864        text-indent:-.25in;}
865@list l1:level9
866        {mso-level-tab-stop:4.5in;
867        mso-level-number-position:left;
868        text-indent:-.25in;}
869@list l2
870        {mso-list-id:268514595;
871        mso-list-type:hybrid;
872        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
873@list l2:level1
874        {mso-level-number-format:alpha-lower;
875        mso-level-tab-stop:none;
876        mso-level-number-position:left;
877        margin-left:1.0in;
878        text-indent:-.25in;
879        mso-ansi-font-weight:normal;}
880@list l2:level2
881        {mso-level-tab-stop:1.0in;
882        mso-level-number-position:left;
883        text-indent:-.25in;}
884@list l2:level3
885        {mso-level-tab-stop:112.5pt;
886        mso-level-number-position:left;
887        margin-left:112.5pt;
888        text-indent:-.25in;}
889@list l2:level4
890        {mso-level-tab-stop:2.0in;
891        mso-level-number-position:left;
892        text-indent:-.25in;}
893@list l2:level5
894        {mso-level-tab-stop:2.5in;
895        mso-level-number-position:left;
896        text-indent:-.25in;}
897@list l2:level6
898        {mso-level-tab-stop:3.0in;
899        mso-level-number-position:left;
900        text-indent:-.25in;}
901@list l2:level7
902        {mso-level-tab-stop:3.5in;
903        mso-level-number-position:left;
904        text-indent:-.25in;}
905@list l2:level8
906        {mso-level-tab-stop:4.0in;
907        mso-level-number-position:left;
908        text-indent:-.25in;}
909@list l2:level9
910        {mso-level-tab-stop:4.5in;
911        mso-level-number-position:left;
912        text-indent:-.25in;}
913@list l3
914        {mso-list-id:301277244;
915        mso-list-template-ids:-445226636;}
916@list l3:level1
917        {mso-level-tab-stop:none;
918        mso-level-number-position:left;
919        text-indent:-.25in;}
920@list l3:level2
921        {mso-level-number-format:alpha-lower;
922        mso-level-tab-stop:1.0in;
923        mso-level-number-position:left;
924        text-indent:-.25in;}
925@list l3:level3
926        {mso-level-tab-stop:1.5in;
927        mso-level-number-position:left;
928        text-indent:-.25in;}
929@list l3:level4
930        {mso-level-number-format:alpha-lower;
931        mso-level-tab-stop:2.0in;
932        mso-level-number-position:left;
933        text-indent:-.25in;}
934@list l3:level5
935        {mso-level-tab-stop:2.5in;
936        mso-level-number-position:left;
937        text-indent:-.25in;}
938@list l3:level6
939        {mso-level-tab-stop:3.0in;
940        mso-level-number-position:left;
941        text-indent:-.25in;}
942@list l3:level7
943        {mso-level-tab-stop:3.5in;
944        mso-level-number-position:left;
945        text-indent:-.25in;}
946@list l3:level8
947        {mso-level-tab-stop:4.0in;
948        mso-level-number-position:left;
949        text-indent:-.25in;}
950@list l3:level9
951        {mso-level-tab-stop:4.5in;
952        mso-level-number-position:left;
953        text-indent:-.25in;}
954@list l4
955        {mso-list-id:424421782;
956        mso-list-template-ids:-445226636;}
957@list l4:level1
958        {mso-level-tab-stop:none;
959        mso-level-number-position:left;
960        text-indent:-.25in;}
961@list l4:level2
962        {mso-level-number-format:alpha-lower;
963        mso-level-tab-stop:1.0in;
964        mso-level-number-position:left;
965        text-indent:-.25in;}
966@list l4:level3
967        {mso-level-tab-stop:1.5in;
968        mso-level-number-position:left;
969        text-indent:-.25in;}
970@list l4:level4
971        {mso-level-number-format:alpha-lower;
972        mso-level-tab-stop:2.0in;
973        mso-level-number-position:left;
974        text-indent:-.25in;}
975@list l4:level5
976        {mso-level-tab-stop:2.5in;
977        mso-level-number-position:left;
978        text-indent:-.25in;}
979@list l4:level6
980        {mso-level-tab-stop:3.0in;
981        mso-level-number-position:left;
982        text-indent:-.25in;}
983@list l4:level7
984        {mso-level-tab-stop:3.5in;
985        mso-level-number-position:left;
986        text-indent:-.25in;}
987@list l4:level8
988        {mso-level-tab-stop:4.0in;
989        mso-level-number-position:left;
990        text-indent:-.25in;}
991@list l4:level9
992        {mso-level-tab-stop:4.5in;
993        mso-level-number-position:left;
994        text-indent:-.25in;}
995@list l5
996        {mso-list-id:617220658;
997        mso-list-type:hybrid;
998        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
999@list l5:level1
1000        {mso-level-tab-stop:none;
1001        mso-level-number-position:left;
1002        text-indent:-.25in;}
1003@list l5:level2
1004        {mso-level-tab-stop:1.0in;
1005        mso-level-number-position:left;
1006        text-indent:-.25in;}
1007@list l5:level3
1008        {mso-level-tab-stop:1.5in;
1009        mso-level-number-position:left;
1010        text-indent:-.25in;}
1011@list l5:level4
1012        {mso-level-tab-stop:2.0in;
1013        mso-level-number-position:left;
1014        text-indent:-.25in;}
1015@list l5:level5
1016        {mso-level-tab-stop:2.5in;
1017        mso-level-number-position:left;
1018        text-indent:-.25in;}
1019@list l5:level6
1020        {mso-level-tab-stop:3.0in;
1021        mso-level-number-position:left;
1022        text-indent:-.25in;}
1023@list l5:level7
1024        {mso-level-tab-stop:3.5in;
1025        mso-level-number-position:left;
1026        text-indent:-.25in;}
1027@list l5:level8
1028        {mso-level-tab-stop:4.0in;
1029        mso-level-number-position:left;
1030        text-indent:-.25in;}
1031@list l5:level9
1032        {mso-level-tab-stop:4.5in;
1033        mso-level-number-position:left;
1034        text-indent:-.25in;}
1035@list l6
1036        {mso-list-id:656106218;
1037        mso-list-type:hybrid;
1038        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1039@list l6:level1
1040        {mso-level-tab-stop:none;
1041        mso-level-number-position:left;
1042        text-indent:-.25in;}
1043@list l6:level2
1044        {mso-level-tab-stop:1.0in;
1045        mso-level-number-position:left;
1046        text-indent:-.25in;}
1047@list l6:level3
1048        {mso-level-tab-stop:1.5in;
1049        mso-level-number-position:left;
1050        text-indent:-.25in;}
1051@list l6:level4
1052        {mso-level-tab-stop:2.0in;
1053        mso-level-number-position:left;
1054        text-indent:-.25in;}
1055@list l6:level5
1056        {mso-level-tab-stop:2.5in;
1057        mso-level-number-position:left;
1058        text-indent:-.25in;}
1059@list l6:level6
1060        {mso-level-tab-stop:3.0in;
1061        mso-level-number-position:left;
1062        text-indent:-.25in;}
1063@list l6:level7
1064        {mso-level-tab-stop:3.5in;
1065        mso-level-number-position:left;
1066        text-indent:-.25in;}
1067@list l6:level8
1068        {mso-level-tab-stop:4.0in;
1069        mso-level-number-position:left;
1070        text-indent:-.25in;}
1071@list l6:level9
1072        {mso-level-tab-stop:4.5in;
1073        mso-level-number-position:left;
1074        text-indent:-.25in;}
1075@list l7
1076        {mso-list-id:734669460;
1077        mso-list-type:hybrid;
1078        mso-list-template-ids:1215081880 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1079@list l7:level1
1080        {mso-level-tab-stop:none;
1081        mso-level-number-position:left;
1082        text-indent:-.25in;}
1083@list l7:level2
1084        {mso-level-tab-stop:1.0in;
1085        mso-level-number-position:left;
1086        text-indent:-.25in;}
1087@list l7:level3
1088        {mso-level-tab-stop:1.5in;
1089        mso-level-number-position:left;
1090        text-indent:-.25in;}
1091@list l7:level4
1092        {mso-level-tab-stop:2.0in;
1093        mso-level-number-position:left;
1094        text-indent:-.25in;}
1095@list l7:level5
1096        {mso-level-tab-stop:2.5in;
1097        mso-level-number-position:left;
1098        text-indent:-.25in;}
1099@list l7:level6
1100        {mso-level-tab-stop:3.0in;
1101        mso-level-number-position:left;
1102        text-indent:-.25in;}
1103@list l7:level7
1104        {mso-level-tab-stop:3.5in;
1105        mso-level-number-position:left;
1106        text-indent:-.25in;}
1107@list l7:level8
1108        {mso-level-tab-stop:4.0in;
1109        mso-level-number-position:left;
1110        text-indent:-.25in;}
1111@list l7:level9
1112        {mso-level-tab-stop:4.5in;
1113        mso-level-number-position:left;
1114        text-indent:-.25in;}
1115@list l8
1116        {mso-list-id:919948450;
1117        mso-list-type:hybrid;
1118        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1119@list l8:level1
1120        {mso-level-tab-stop:none;
1121        mso-level-number-position:left;
1122        text-indent:-.25in;}
1123@list l8:level2
1124        {mso-level-tab-stop:1.0in;
1125        mso-level-number-position:left;
1126        text-indent:-.25in;}
1127@list l8:level3
1128        {mso-level-tab-stop:1.5in;
1129        mso-level-number-position:left;
1130        text-indent:-.25in;}
1131@list l8:level4
1132        {mso-level-tab-stop:2.0in;
1133        mso-level-number-position:left;
1134        text-indent:-.25in;}
1135@list l8:level5
1136        {mso-level-tab-stop:2.5in;
1137        mso-level-number-position:left;
1138        text-indent:-.25in;}
1139@list l8:level6
1140        {mso-level-tab-stop:3.0in;
1141        mso-level-number-position:left;
1142        text-indent:-.25in;}
1143@list l8:level7
1144        {mso-level-tab-stop:3.5in;
1145        mso-level-number-position:left;
1146        text-indent:-.25in;}
1147@list l8:level8
1148        {mso-level-tab-stop:4.0in;
1149        mso-level-number-position:left;
1150        text-indent:-.25in;}
1151@list l8:level9
1152        {mso-level-tab-stop:4.5in;
1153        mso-level-number-position:left;
1154        text-indent:-.25in;}
1155@list l9
1156        {mso-list-id:1035230400;
1157        mso-list-type:hybrid;
1158        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1159@list l9:level1
1160        {mso-level-tab-stop:none;
1161        mso-level-number-position:left;
1162        text-indent:-.25in;}
1163@list l9:level2
1164        {mso-level-number-format:alpha-lower;
1165        mso-level-tab-stop:none;
1166        mso-level-number-position:left;
1167        text-indent:-.25in;}
1168@list l9:level3
1169        {mso-level-tab-stop:1.5in;
1170        mso-level-number-position:left;
1171        text-indent:-.25in;}
1172@list l9:level4
1173        {mso-level-tab-stop:2.0in;
1174        mso-level-number-position:left;
1175        text-indent:-.25in;}
1176@list l9:level5
1177        {mso-level-tab-stop:2.5in;
1178        mso-level-number-position:left;
1179        text-indent:-.25in;}
1180@list l9:level6
1181        {mso-level-tab-stop:3.0in;
1182        mso-level-number-position:left;
1183        text-indent:-.25in;}
1184@list l9:level7
1185        {mso-level-tab-stop:3.5in;
1186        mso-level-number-position:left;
1187        text-indent:-.25in;}
1188@list l9:level8
1189        {mso-level-tab-stop:4.0in;
1190        mso-level-number-position:left;
1191        text-indent:-.25in;}
1192@list l9:level9
1193        {mso-level-tab-stop:4.5in;
1194        mso-level-number-position:left;
1195        text-indent:-.25in;}
1196@list l10
1197        {mso-list-id:1074664733;
1198        mso-list-type:hybrid;
1199        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1200@list l10:level1
1201        {mso-level-number-format:alpha-lower;
1202        mso-level-tab-stop:none;
1203        mso-level-number-position:left;
1204        margin-left:1.0in;
1205        text-indent:-.25in;
1206        mso-ansi-font-weight:normal;}
1207@list l10:level2
1208        {mso-level-number-format:alpha-lower;
1209        mso-level-tab-stop:none;
1210        mso-level-number-position:left;
1211        text-indent:-.25in;}
1212@list l10:level3
1213        {mso-level-tab-stop:1.5in;
1214        mso-level-number-position:left;
1215        text-indent:-.25in;}
1216@list l10:level4
1217        {mso-level-tab-stop:2.0in;
1218        mso-level-number-position:left;
1219        text-indent:-.25in;}
1220@list l10:level5
1221        {mso-level-tab-stop:2.5in;
1222        mso-level-number-position:left;
1223        text-indent:-.25in;}
1224@list l10:level6
1225        {mso-level-tab-stop:3.0in;
1226        mso-level-number-position:left;
1227        text-indent:-.25in;}
1228@list l10:level7
1229        {mso-level-tab-stop:3.5in;
1230        mso-level-number-position:left;
1231        text-indent:-.25in;}
1232@list l10:level8
1233        {mso-level-tab-stop:4.0in;
1234        mso-level-number-position:left;
1235        text-indent:-.25in;}
1236@list l10:level9
1237        {mso-level-tab-stop:4.5in;
1238        mso-level-number-position:left;
1239        text-indent:-.25in;}
1240@list l11
1241        {mso-list-id:1162892763;
1242        mso-list-type:hybrid;
1243        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1244@list l11:level1
1245        {mso-level-number-format:alpha-lower;
1246        mso-level-tab-stop:none;
1247        mso-level-number-position:left;
1248        margin-left:1.0in;
1249        text-indent:-.25in;}
1250@list l11:level2
1251        {mso-level-tab-stop:1.0in;
1252        mso-level-number-position:left;
1253        text-indent:-.25in;}
1254@list l11:level3
1255        {mso-level-tab-stop:1.5in;
1256        mso-level-number-position:left;
1257        text-indent:-.25in;}
1258@list l11:level4
1259        {mso-level-tab-stop:2.0in;
1260        mso-level-number-position:left;
1261        text-indent:-.25in;}
1262@list l11:level5
1263        {mso-level-tab-stop:2.5in;
1264        mso-level-number-position:left;
1265        text-indent:-.25in;}
1266@list l11:level6
1267        {mso-level-tab-stop:3.0in;
1268        mso-level-number-position:left;
1269        text-indent:-.25in;}
1270@list l11:level7
1271        {mso-level-tab-stop:3.5in;
1272        mso-level-number-position:left;
1273        text-indent:-.25in;}
1274@list l11:level8
1275        {mso-level-tab-stop:4.0in;
1276        mso-level-number-position:left;
1277        text-indent:-.25in;}
1278@list l11:level9
1279        {mso-level-tab-stop:4.5in;
1280        mso-level-number-position:left;
1281        text-indent:-.25in;}
1282@list l12
1283        {mso-list-id:1323200535;
1284        mso-list-type:hybrid;
1285        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1286@list l12:level1
1287        {mso-level-number-format:alpha-lower;
1288        mso-level-tab-stop:none;
1289        mso-level-number-position:left;
1290        margin-left:1.0in;
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1570@list l19
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1574@list l19:level1
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1582@list l19:level3
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1590@list l19:level5
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1602@list l19:level8
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1606@list l19:level9
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1610ol
1611        {margin-bottom:0in;}
1612ul
1613        {margin-bottom:0in;}
1614-->
1615</style>
1616<!--[if gte mso 10]>
1617<style>
1618 /* Style Definitions */
1619 table.MsoNormalTable
1620        {mso-style-name:"Table Normal";
1621        mso-tstyle-rowband-size:0;
1622        mso-tstyle-colband-size:0;
1623        mso-style-noshow:yes;
1624        mso-style-priority:99;
1625        mso-style-qformat:yes;
1626        mso-style-parent:"";
1627        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1628        mso-para-margin:0in;
1629        mso-para-margin-bottom:.0001pt;
1630        mso-pagination:widow-orphan;
1631        font-size:10.0pt;
1632        font-family:"Times New Roman","serif";}
1633</style>
1634<![endif]-->
1635<link href=gsasIIfav.png rel="SHORTCUT ICON">
1636<!--[if gte mso 9]><xml>
1637 <o:shapedefaults v:ext="edit" spidmax="15362"/>
1638</xml><![endif]--><!--[if gte mso 9]><xml>
1639 <o:shapelayout v:ext="edit">
1640  <o:idmap v:ext="edit" data="1"/>
1641 </o:shapelayout></xml><![endif]-->
1642</head>
1643
1644<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1645
1646<div class=WordSection1>
1647
1648<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
1649 o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f"
1650 stroked="f">
1651 <v:stroke joinstyle="miter"/>
1652 <v:formulas>
1653  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1654  <v:f eqn="sum @0 1 0"/>
1655  <v:f eqn="sum 0 0 @1"/>
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1665 </v:formulas>
1666 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
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1668</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1044" type="#_x0000_t75"
1669 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0;
1670 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square;
1671 mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0;
1672 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1673 mso-position-horizontal-relative:text;mso-position-vertical:absolute;
1674 mso-position-vertical-relative:line' o:allowoverlap="f">
1675 <v:imagedata src="gsas2logo.png"/>
1676 <w:wrap type="square" anchory="line"/>
1677</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1678align=right alt="GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
1679style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
1680
1681<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1682is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1683operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1684window, which provides a hierarchical view of the current project; the <a
1685href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1686a particular section of the project, where values can be examined and changed; the
1687<a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1688representations of the results; and the console which has printout information
1689that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1690
1691<div class=MsoNormal align=center style='text-align:center'><span
1692style='mso-fareast-font-family:"Times New Roman"'>
1693
1694<hr size=2 width="100%" align=center>
1695
1696</span></div>
1697
1698<div class=MsoNormal align=center style='text-align:center'><span
1699style='mso-fareast-font-family:"Times New Roman"'>
1700
1701<hr size=2 width="100%" align=center>
1702
1703</span></div>
1704
1705<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
1706GSAS-II data tree<o:p></o:p></span></h2>
1707
1708<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1709is a hierarchical view of the data items in your GSAS-II project (name.gpx).
1710Clicking on any item in the tree opens a window where information in that item
1711can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
1712Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
1713about how data were collected, such as the sample temperature <a
1714href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
1715the selection to successive entries in the data tree; both the data window and
1716the associated plot (if any) will change.<o:p></o:p></span></p>
1717
1718<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
1719
1720<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1721menus associated with this window provide access to many features of GSAS-II,
1722as outlined below: <o:p></o:p></span></p>
1723
1724<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
1725style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1726style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1727&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
1728
1729<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1730auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1731style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1732style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1733style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
1734saved GSAS-II project file (name.gpx). If you currently have a project file
1735open, you are asked if it is OK to over write it; Cancel will cancel the
1736process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
1737class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
1738of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
1739to e.g. name.gpx to overwrite the current version. Otherwise you may get
1740backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
1741
1742<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1743auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1744style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1745style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1746style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
1747project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
1748tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
1749there. Otherwise, you will be prompted for a new name in a file dialog (you may
1750change directory as well). If the file exists, you will be asked if it OK to
1751overwrite.</span></p>
1752
1753<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1754auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1755style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1756style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1757style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
1758As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
1759Save the current project to a new file. A file dialog will be shown to enter
1760the name (and change directory if desired). If the file exists, you will be
1761asked if it OK to overwrite.</span></p>
1762
1763<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1764auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1765style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1766style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1767style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
1768project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1769&#8211; Close the current project; you will be asked if you want to save it
1770first.</span></p>
1771
1772<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1773auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1774style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1775style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1776style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
1777style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
1778program; if there is a current project you will be asked if you want to save it
1779first. Pressing the red X in the upper right (Windows) also exits (no save
1780option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
1781
1782<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
1783style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1784style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1785&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
1786
1787<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1788auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1789style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1790style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1791style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
1792powder diffraction patterns (multiple patterns can be selected). GSAS-II can
1793read most of the old GSAS powder format files with the position in <span
1794class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
1795class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
1796where the position is in degrees 2-theta. As each file is read, an old GSAS
1797style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
1798class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
1799data set is assumed. </p>
1800
1801<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1802auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1803style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1804style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1805style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
1806powder diffraction images (multiple patterns can be selected). GSAS-II can read
1807many different image file formats including MAR345 files, Quantum ADSC files,
1808and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
1809formats have data fields that should contain relevant information for the
1810exposure (e.g. wavelength), these are rarely filled in correctly by the data
1811acquisition software. Thus, you should have separately noted this information
1812as it will be needed</p>
1813
1814<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1815auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1816style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1817style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1818style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
1819in a list of powder pattern peak positions as either a d-spacing table or a set
1820of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
1821GSAS-II powder pattern indexing. </p>
1822
1823<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1824auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1825style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1826style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1827style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
1828
1829<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1830auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1831style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1832style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1833style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
1834
1835<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1836auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1837style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
1838style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1839style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
1840
1841<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1842auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1843style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
1844style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1845style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
1846creation of a new phase in the data tree (under Phases). You are first prompted
1847in a dialog box for a name to be assigned to the new phase. Then the <b
1848style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
1849opened for this phase; you should first select the phase type, enter the space
1850group symbol and then lattice parameters. Note that nonstandard space group
1851symbols are permitted; there must be spaces between the axial fields (e.g. use &#8216;P
1852n a 21&#8217; not &#8216;Pna21&#8217;).</p>
1853
1854<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1855auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1856style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
1857style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1858style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
1859phase from the data tree. A dialog box will present the list of phases; pick one
1860(or more) to delete.</p>
1861
1862<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1863auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1864style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
1865style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
1866</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename data</b>
1867&#8211; This might be a bad idea!!</p>
1868
1869<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1870auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1871style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
1872style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
1873</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
1874data</b> &#8211; This will remove an item from the data tree. A dialog box with
1875a list of choices is presented.</p>
1876
1877<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
1878style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1879style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1880&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
1881
1882<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1883auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1884style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1885style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1886style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
1887pair distribution function (PDF) controls for each powder pattern selected in
1888the dialog box. See <b style='mso-bidi-font-weight:normal'><span
1889style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
1890Controls</a></span></b> for further directions.</p>
1891
1892<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1893auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1894style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1895style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1896style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
1897&#8211; This shows a dialog box with all the parameters for your project; those
1898to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
1899Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
1900The total number of refined parameters is also shown at the top of the list.
1901The value of each parameter is also given. The parameter names are of the form
1902&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
1903phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
1904item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
1905that for atom positions the value is not a <span class=SpellE>refinable</span>
1906parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
1907class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
1908atom in the <span class=SpellE>zeroth</span> phase while shift names have a
1909&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
1910
1911<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1912auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1913style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1914style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1915style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
1916refinement (Pawley/Rietveld or single crystal) according to the controls set in
1917the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
1918data tree item.</p>
1919
1920<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1921auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1922style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1923style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1924style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
1925sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
1926normal'><a href="#Controls">Controls</a></b> data tree item.</p>
1927
1928<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
1929style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1930style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1931&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
1932
1933<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1934auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1935style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1937style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
1938
1939<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1940auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1941style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1942style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1943style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
1944reads one phase from a GSAS experiment file (name.EXP). The file name is found
1945in a directory dialog; you can change directories as needed. Only .EXP (or
1946.exp) file names are shown. If the selected file has more than one phase, a
1947dialog is shown with the choices; only one can be chosen. If you want more than
1948one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
1949command. After selecting a phase, a dialog box is shown with the proposed phase
1950name. You can change it if desired.</p>
1951
1952<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1953auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1954style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1955style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1956style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads the
1957macromolecular phase information from a Protein Data Base file (name.PDB or
1958name.ENT). The file name is found in a directory dialog; you can change
1959directories as needed. Only .PDB or .ENT file names are shown. A dialog box is
1960shown with the proposed phase name. You can change it if desired.</p>
1961
1962<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1963auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1964style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1965style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1966style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
1967phase from a Crystallographic Information File (name.CIF). The file name is
1968found in a directory dialog; you can change directories as needed. Only .CIF
1969(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
1970has more than one phase, a dialog is shown with the choices; only one can be
1971chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
1972normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
1973shown with the proposed phase name. You can change it if desired.</p>
1974
1975<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1976auto;text-indent:-.25in;mso-list:l9 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1977style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1978style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1979style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
1980This reads one phase from a GSAS-II project file (name.GPX). The file name is
1981found in a directory dialog; you can change directories as needed. Only .GPX
1982(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
1983has more than one phase, a dialog is shown with the choices; only one can be
1984chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
1985normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
1986selecting a phase, a dialog box is shown with the proposed phase name. You can
1987change it if desired.</p>
1988
1989<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1990auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1991style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1992style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1993style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
1994
1995<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1996auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
1997style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1998style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1999style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2000
2001<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo1'><![if !supportLists]><span
2002style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2003style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2004&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2005
2006<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2007auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
2008style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2009style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2010style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2011
2012<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2013auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
2014style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2015style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2016style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2017
2018<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2019auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
2020style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2021style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2022style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2023
2024<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2025auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
2026style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2027style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2028style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2029
2030<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2031auto;text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
2032style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2033style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2034style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2035
2036<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2037text-indent:-.25in;mso-list:l9 level2 lfo1'><![if !supportLists]><span
2038style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2039style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2040style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2041
2042<div class=MsoNormal align=center style='text-align:center'><span
2043style='mso-fareast-font-family:"Times New Roman"'>
2044
2045<hr size=2 width="100%" align=center>
2046
2047</span></div>
2048
2049<div class=MsoNormal align=center style='text-align:center'><span
2050style='mso-fareast-font-family:"Times New Roman"'>
2051
2052<hr size=2 width="100%" align=center>
2053
2054</span></div>
2055
2056<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2057GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2058"Times New Roman"'><o:p></o:p></span></h2>
2059
2060<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2061information is displayed in the Data Editing Window, depending on which section
2062of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2063the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2064window described below. <o:p></o:p></span></p>
2065
2066<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2067style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2068
2069<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2070window provides a place for you to enter whatever text commentary you wish.
2071Each time you enter this window, a date/time entry is provided for you. A
2072possibly useful technique is to select a portion of the console window after a
2073refinement completes (it will contain refinement results with residuals, new
2074values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2075window so it becomes a part of your project file.<o:p></o:p></span></p>
2076
2077<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2078style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2079
2080<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2081window provides the main controls for the major calculations in GSAS-II. At
2082present only Refinement Controls are presented. <o:p></o:p></span></p>
2083
2084<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2085of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2086MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2087algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
2088package and a third one is a python version utilizing only the <span
2089class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
2090the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
2091nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2092algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2093routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2094Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2095J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2096python/numpy version was developed by us based on the material in Numerical
2097Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2098&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2099algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2100
2101<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2102
2103<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span
2104style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2105style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2106style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2107uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2108Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2109perhaps a bit less accurate, but may be needed if the analytic functions are
2110not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2111x M (parameters x observations) and is much larger than the Hessian matrix
2112which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2113Hessian&#8217; for routine work.<o:p></o:p></span></p>
2114
2115<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span
2116style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2117style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2118style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2119delta-M/M&#8217; for convergence; the refinement will stop when the change in
2120the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2121force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2122(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2123to 1.0.<o:p></o:p></span></p>
2124
2125<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span
2126style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2127style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2128style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2129Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2130the first cycle of refinement. This value is modified by the least squares
2131routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2132needed if your initial <span class=GramE>refinement</span> trials immediately
2133diverge, however make sure your starting parameter values are
2134&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
2135performance.<o:p></o:p></span></p>
2136
2137<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span
2138style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2139style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2140style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2141Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2142number of least squares cycles to be performed. Least squares cycles are
2143determined by the number of times a new Hessian matrix is computes; the <span
2144class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2145several times between cycles as it finds the optimal value of the Marquardt
2146coefficient. Choices are given in the pull down selection; the default is 3
2147cycles.<o:p></o:p></span></p>
2148
2149<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l13 level1 lfo2'><![if !supportLists]><span
2150style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2151style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2152style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2153refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2154
2155<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2156
2157<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2158window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2159shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2160
2161<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2162
2163<span style='mso-bookmark:Constraints'></span>
2164
2165<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2166window shows the constraints to be used in a refinement. It is organized into
2167three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2168parameters that describe aspects of the crystalline phases to be used in the
2169refinement (e.g. atom coordinates, thermal motion and site fraction
2170parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2171aspects of the pattern that depend on both the phase and the data set used in
2172the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2173"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2174and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2175that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2176and Y).<o:p></o:p></span></p>
2177
2178<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2179
2180<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo3'><![if !supportLists]><span
2181style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2182style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2183style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2184parameter types you wish to constrain. Each will have the same possibilities in
2185the &#8216;Edit menu.<o:p></o:p></span></p>
2186
2187<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo3'><![if !supportLists]><span
2188style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2189style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2190style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2191style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2192
2193<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2194auto;text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span
2195style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2196style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2197class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2198"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2199style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2200style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2201that you wish to remain fixed although other parameters of the same type may be
2202selected as a group for refinement. For example, if the space group for a phase
2203has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2204is arbitrary and should be selected for a Hold to keep the structure from
2205drifting up or down the y-axis during refinement. If selected, a dialog box
2206will appear showing the list of available parameters; select one and then OK to
2207implement it, Cancel will cancel the operation. The held parameter will be
2208shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2209button can be used to remove it.<o:p></o:p></span></p>
2210
2211<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2212auto;text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span
2213style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2214style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2215style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2216equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2217&#8211; select a list of parameters that should have the same value (possibly
2218with a non-unitary multiplier for some). Examples are a list of atoms with the
2219same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2220coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2221selected, a dialog box will appear with a list of the available parameters.
2222Select one and press OK; a second dialog box will appear with only those
2223parameters that can be made equivalent to the first one. Choose those and press
2224OK. Cancel in either dialog will cancel the operation. The equivalenced
2225parameters will show as an equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0;
2226usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2227button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2228equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2229
2230<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2231auto;text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span
2232style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2233style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2234style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2235constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2236&#8211; select a list of parameters whose sum (with possible non-unitary
2237multipliers) is fixed. For example, the sum of site fractions for atoms on the
2238same site could be fixed to unity. If selected, a dialog box will appear with a
2239list of the available parameters. Select one and press OK; a second dialog box
2240will appear with only those parameters that can be used in a constraint with
2241the first one. Choose those and press OK. Cancel in either dialog will cancel
2242the operation. The equivalenced parameters will show as an equation of the form
2243M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2244multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2245the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2246constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2247
2248<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2249text-indent:-.25in;mso-list:l15 level2 lfo3'><![if !supportLists]><span
2250style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2251style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2252style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2253function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2254&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2255the result of the sum can be varied in the refinement. The keyword
2256&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2257indicates your choice to refine the result of the sum. A Delete button can be
2258used to remove it.<o:p></o:p></span></p>
2259
2260<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2261style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2262
2263<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2264window is empty<o:p></o:p></span></p>
2265
2266<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2267
2268<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2269just yet<o:p></o:p></span></p>
2270
2271<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2272style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2273
2274<p class=MsoNormal>In this window is tabulated the results of your sequential
2275refinement. The columns are the parameter names; the naming convention is
2276&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2277h is the histogram number, name is the parameter name, and num (if needed) is
2278the item number (e.g. atom number). The rows are the data sets used in the
2279sequential refinement.</p>
2280
2281<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2282
2283<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2284
2285<h3>Histograms</h3>
2286
2287<p class=MsoNormal>These are shown in the data tree with a prefix of
2288&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2289&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2290constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2291analysis. Selection of these items does not produce any information in the data
2292window but does display the data in the Plots Window. They are described below.</p>
2293
2294<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2295
2296<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2297a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2298href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2299tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a variety
2300of subcategories in the tree are shown. The items that are shown depend on the
2301data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2302
2303<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2304style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2305
2306<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l18 level1 lfo4'><span
2307style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2308"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2309</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2310&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2311
2312<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2313text-indent:-.25in;mso-list:l16 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2314style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2315style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2316style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2317style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2318&#8211; this produces a &#8216;normal probability&#8217; plot for the
2319refinement result as bounded by the limits. The slope and intercept of the
2320curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2321Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2322style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2323style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2324"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2325style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2326plot status line. The slope is the square root of GOF for the best fit set of
2327data points (~68% of the data).<o:p></o:p></span></span></p>
2328
2329<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2330
2331<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2332whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2333file was read by GSAS-II. If you are lucky, there will be useful information
2334here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
2335will be blank. The text is read-only in that anything you try to enter here is
2336not saved.</span></p>
2337
2338<span style='mso-bookmark:Comments'></span>
2339
2340<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2341style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2342
2343<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2344window shows the limits in position to be used in any fitting for this powder
2345pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2346maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2347needed.<o:p></o:p></span></p>
2348
2349<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2350
2351<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2352style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2353style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2354style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2355class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2356&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2357changed (the background on the box will be blue or have a black border or a
2358vertical bar will appear in the value), then enter the new value and press
2359Enter or click the mouse elsewhere in the Background window. This will set the
2360new value.<o:p></o:p></span></p>
2361
2362<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2363style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2364style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2365style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2366&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2367(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2368line) into position. A left or right mouse click on a data point on the plot
2369will set the associated limit. In either case the appropriate value on the
2370&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2371
2372<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2373style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2374style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2375style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2376style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2377
2378<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2379text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2380style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2381style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2382style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2383style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2384limits shown to other selected powder patterns. If used, a dialog box (Copy
2385Parameters) will appear showing the list of available powder patterns, you can
2386copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2387copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2388&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2389
2390<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2391
2392<span style='mso-bookmark:Background'></span>
2393
2394<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2395window shows the choice of background functions and coefficients to be used in
2396fitting this powder pattern. There are three types of contributions available
2397for the background:<o:p></o:p></span></p>
2398
2399<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2400A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2401&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2402interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2403interpolate&#8217;). The latter three select fixed points with spacing that is <span
2404class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2405x-coordinate. The set of magnitudes at each point then comprise the background
2406variables. All are refined when refine is selected.<o:p></o:p></span></p>
2407
2408<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2409"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2410form:<br>
2411</span><!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span
2412 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><span
2413 style='mso-tab-count:2'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span
2414   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2415   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2416   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2417     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2418     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2419     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2420     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2421     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2422     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2423     mso-fareast-font-family:"Times New Roman"'><m:r>QR</m:r></span></i></m:den></m:f></m:e></m:d><m:sSup><m:sSupPr><span
2424   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2425   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2426   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2427   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2428   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2429   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2430   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2431     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2432     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2433     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2434     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2435     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2436     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2437     mso-fareast-font-family:"Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup></m:sup></m:sSup></m:oMath><![endif]--><![if !msEquation]><span
2438style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2439"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2440top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2441EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2442 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2443 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2444</v:shape><![endif]--><![if !vml]><img width=178 height=51
2445src="gsasII_files/image005.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2446style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
24471'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2448
2449<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2450style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2451variables and can be individually selected as desired; Q = 2</span><span
2452style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2453style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2454
2455<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2456A set of individual Bragg peaks using the pseudo-Voigt profile function as
2457their shapes. Their parameters are &#8216;pos&#8217;, &#8217;<span
2458class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp; &#8216;<span
2459class=SpellE>gam</span>&#8217;; each can be selected for refinement. The
2460default values for sig &amp; <span class=SpellE>gam</span> (=0.10) are for very
2461sharp peaks, you may adjust them accordingly to the kind of peak you are trying
2462to fit before trying to refine them.<o:p></o:p></span></p>
2463
2464<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2465
2466<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span
2467style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2468style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2469style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2470style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2471
2472<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2473auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2474style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2475style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2476style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2477style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2478background parameters shown to other selected powder patterns. If used, a
2479dialog box (Copy Parameters) will appear showing the list of available powder
2480patterns, you can copy the background parameters to any or all of them; select
2481&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2482do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2483
2484<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2485auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2486style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2487style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2488style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2489flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2490this copies only the refinement flags shown to other selected powder patterns. If
2491used, a dialog box (Copy Refinement Flags) will appear showing the list of
2492available powder patterns, you can copy the refinement flags to any or all of
2493them; select &#8216;All&#8217; to copy them to all patterns. Then select
2494&#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2495
2496<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span
2497style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2498style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2499style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2500Background function from the pull down tab.<o:p></o:p></span></p>
2501
2502<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span
2503style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2504style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2505style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2506refine the background coefficients.<o:p></o:p></span></p>
2507
2508<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span
2509style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2510style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2511style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2512background coefficients to be used (1-36).<o:p></o:p></span></p>
2513
2514<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span
2515style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2516style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2517style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2518background coefficient values. Enter the value then press Enter or click the
2519mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2520
2521<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span
2522style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2523style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2524style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2525Debye scattering terms into the background. For each one you should enter a
2526sensible value for &#8216;R&#8217; &#8211; an expected <span class=SpellE>interatomic</span>
2527distance in an amorphous phase is appropriate. Select parameters to refine;
2528usually start with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2529
2530<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l17 level1 lfo7'><![if !supportLists]><span
2531style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2532style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2533style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2534Bragg peaks into the background. For each you should specify at least the
2535position. Select parameters to refine; usually start with the &#8216;<span
2536class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2537
2538<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2539"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2540style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2541
2542<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2543window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2544
2545<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2546
2547<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span
2548style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2549style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2550style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2551style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <o:p></o:p></span></p>
2552
2553<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2554auto;text-indent:-.25in;mso-list:l14 level1 lfo10'><![if !supportLists]><span
2555style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2556style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2557style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2558profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2559resets the values for the instrument parameters to the default values shown in
2560parentheses for each entry.<o:p></o:p></span></p>
2561
2562<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2563auto;text-indent:-.25in;mso-list:l14 level1 lfo10'><![if !supportLists]><span
2564style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2565style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2566style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2567style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2568instrument parameters shown to other selected powder patterns. If used, a dialog
2569box (Copy Parameters) will appear showing the list of available powder
2570patterns, you can copy the instrument parameters to any or all of them; select
2571&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2572do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2573work for instrument parameters that are commensurate with the one that is
2574shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2575style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2576style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2577style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2578style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2579style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2580style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2581
2582<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2583auto;text-indent:-.25in;mso-list:l14 level1 lfo10'><![if !supportLists]><span
2584style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2585style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2586style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2587flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- &#8211;
2588this copies the instrument parameter refinement flags shown to other selected
2589powder patterns. If used, a dialog box (Copy Refinement Flags) will appear
2590showing the list of available powder patterns, you can copy the instrument
2591parameter refinement flags to any or all of them; select &#8216;All&#8217; to
2592copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2593&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
2594instrument parameters that are commensurate with the one that is shown, e.g.
2595single radiation patterns will not be updated from K</span><sub><span
2596style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2597style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2598style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2599style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2600style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2601style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2602
2603<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2604auto;text-indent:-.25in;mso-list:l14 level1 lfo10'><![if !supportLists]><span
2605style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2606style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2607style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2608radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2609&#8211; this changes the radiation between single wavelength (e.g. for
2610synchrotron source) and K</span><sub><span style='font-family:Symbol;
2611mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2612style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2613style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2614style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2615style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2616style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2617laboratory tube source).<o:p></o:p></span></p>
2618
2619<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span
2620style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2621style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2622style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2623profile coefficients<o:p></o:p></span></p>
2624
2625<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo9'><![if !supportLists]><span
2626style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2627style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2628style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2629profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2630circumstances some choices are ignored e.g. Zero is not refined during peak
2631fitting. Also some choices may lead to unstable refinement, e.g. <span
2632class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
2633&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
2634style='mso-fareast-font-family:"Times New Roman"'> display for highly
2635correlated parameters.<o:p></o:p></span></p>
2636
2637<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
2638"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
2639
2640<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2641window show the various sample dependent parameters for this powder pattern. The
2642presence of a refine button indicates which can be refined while others are
2643fixed. All values can be changed in this window.<o:p></o:p></span></p>
2644
2645<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
2646Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
2647do here?<o:p></o:p></span></span></a></h5>
2648
2649<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
2650style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
2651style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2652
2653<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2654window shows the list of peaks that will be used by the peak fitting
2655refinement. It is filled by picking peaks in the powder pattern displayed in
2656the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
2657
2658<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
2659
2660<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
2661style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
2662can I do here? <o:p></o:p></span></span></h5>
2663
2664<h5><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
2665"Times New Roman"'><o:p>&nbsp;</o:p></span></span></h5>
2666
2667<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
2668"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
2669"Times New Roman"'><o:p></o:p></span></h4>
2670
2671<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2672window shows the list of peaks that will be used for indexing (see </span><a
2673href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
2674Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
2675It must be filled before indexing can proceed. When indexing is completed, this
2676display will show the resulting <span class=SpellE>hkl</span> values for every
2677indexed reflection along with the calculated d-spacing (&#8216;d-<span
2678class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
2679href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
2680Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
2681
2682<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2683
2684<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo11'><![if !supportLists]><span
2685style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2686style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2687style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2688style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
2689style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
2690positions &amp; intensities from the </span><a href="#Peak_List"><span
2691style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
2692style='mso-fareast-font-family:"Times New Roman"'> to make them available for
2693the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
2694Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
2695href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
2696Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
2697table to the position shown here.<o:p></o:p></span></p>
2698
2699<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo11'><![if !supportLists]><span
2700style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2701style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2702style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
2703peaks from indexing by <span class=SpellE>unchecking</span> the corresponding
2704&#8216;use&#8217; box.<o:p></o:p></span></p>
2705
2706<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
2707style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
2708"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
2709"Times New Roman"'><o:p></o:p></span></h4>
2710
2711<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2712window... <o:p></o:p></span></p>
2713
2714<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
2715List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2716
2717<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2718window... <o:p></o:p></span></p>
2719
2720<h3>Single Crystal Histograms - HKLF</h3>
2721
2722<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
2723Functions - PDF<o:p></o:p></span></h3>
2724
2725<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
2726Controls<o:p></o:p></span></h4>
2727
2728<p class=MsoNormal>This window </p>
2729
2730<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
2731"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
2732<a name="S_Q"></a>S(Q), <a name="F_Q"></a>F(Q) &amp; <a name="G_R"></a>G(R)<o:p></o:p></span></h4>
2733
2734<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2735window... <o:p></o:p></span></p>
2736
2737<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
2738IMG<o:p></o:p></span></h3>
2739
2740<h4><a name=Images>Image Controls</a></h4>
2741
2742<span style='mso-bookmark:Images'></span>
2743
2744<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2745window... <o:p></o:p></span></p>
2746
2747<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
2748mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
2749style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
2750name="Image_Masks"></a><![endif]></h4>
2751
2752<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2753window... <o:p></o:p></span></p>
2754
2755<h3>Phase Windows</h3>
2756
2757<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2758a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
2759shown for that selected phase in a tabbed window. Clicking on each tab raises
2760the windows listed below. Each tab is identified by the underlined phrase in
2761the following:<o:p></o:p></span></p>
2762
2763<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
2764Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
2765
2766<span style='mso-bookmark:General'></span>
2767
2768<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2769gives overall parameters describing the phase such as the name, space group,
2770the unit cell parameters and overall parameters for the atom present in the
2771phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
2772
2773<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2774
2775<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2776style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2777style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2778style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2779style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
2780shows computations that are possible for this phase.<o:p></o:p></span></p>
2781
2782<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2783auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
2784style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2785style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2786style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
2787maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
2788compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
2789
2790<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2791style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2792style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2793style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
2794of the General page that can be changed are Phase name, Phase type, Space
2795group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
2796
2797<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2798auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
2799style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2800style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2801style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
2802name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
2803this is the name assigned to this phase. It should only be changed when the
2804phase is initialized or imported.<u><o:p></o:p></u></span></p>
2805
2806<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2807auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
2808style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2809style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2810style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
2811type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
2812can only be set when there are no atoms in the Atoms page for this phase.
2813Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
2814
2815<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2816auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
2817style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2818style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2819style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
2820group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2821&#8211; this should be set when the phase is initialized; it can be changed
2822later. Be careful about the impact on Atom site symmetry and multiplicity if
2823you do. GSAS-II will recognize any legal space group symbol using the short
2824Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
2825fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
2826with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
2827setting where the center of inversion is located at the origin. The choice of
2828space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
2829
2830<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2831auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
2832style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2833style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2834style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
2835unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2836&#8211; set this flag to refine the unit cell parameters in a Rietveld or
2837Pawley refinement. The actual parameters refined are the symmetry allowed terms
2838(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
2839normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2840"Times New Roman"'><br>
2841</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
2842    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2843    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2844    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2845    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2846    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2847    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2848    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
2849  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2850  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
2851    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2852    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2853    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2854    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2855    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2856    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2857    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
2858    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2859    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2860    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2861    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2862    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2863    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2864    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
2865  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2866  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2867    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2868    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2869    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2870    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2871    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2872    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2873    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
2874    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2875    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2876    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2877    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2878    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2879    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2880    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
2881  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2882  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2883    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2884    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2885    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2886    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2887    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2888    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2889    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
2890    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2891    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2892    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2893    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2894    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2895    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2896    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
2897  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2898  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2899    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2900    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2901    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2902    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2903    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2904    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2905    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
2906  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2907  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2908    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2909    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2910    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2911    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2912    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2913    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2914    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
2915  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2916  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2917    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2918    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2919    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2920    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2921    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2922    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2923    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
2924  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2925  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
2926style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2927"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
2928mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
2929 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
2930 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
2931</v:shape><![endif]--><![if !vml]><img width=335 height=19
2932src="gsasII_files/image006.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
2933style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
2934
2935<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2936auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
2937style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2938style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2939class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2940"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
2941style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
2942style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
2943only those permitted by the space group are shown. The volume is computed from
2944the values entered.<u><o:p></o:p></u></span></p>
2945
2946<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2947style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2948style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2949style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
2950Atoms page then the Elements table is shown next on the General page; you may select
2951the isotope (only relevant for neutron diffraction experiments). The density is
2952computed depending on this choice, the unit cell volume and the atom
2953fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
2954
2955<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2956style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2957style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2958style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
2959shown at the bottom of the General page. A completed Rietveld or Pawley
2960refinement is required before a Fourier map can be computed. Select the desired
2961type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
2962
2963<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
2964</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
2965
2966<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2967
2968<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
2969style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2970mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
2971line-break'>
2972<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
2973<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
2974
2975<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2976
2977<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
2978
2979<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2980
2981<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
2982
2983<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2984
2985<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
2986
2987<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2988
2989<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
2990
2991<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
2992rendered as lines, van <span class=SpellE>der</span> Waals radii balls, sticks,
2993balls &amp; sticks, ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>.
2994There are two menus for this tab; Edit allows modification of the list of atoms
2995to be rendered and Compute gives some options for geometric characterization of
2996selected atoms.</p>
2997
2998<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2999
3000<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span
3001style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3002style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3003Selection from table: select individual atoms by a left click of the mouse when
3004pointed at the left most column (atom numbers) of the atom display; hold down
3005the Ctrl key to add to your selection; a previously selected atom will be
3006deselected. A selected atom will be highlighted (in grey) and the atom will be
3007shown in green on the plot. Selection without the Ctrl key will clear previous
3008selections. A double left click in the (empty) upper left box will select or
3009deselect all atoms.</p>
3010
3011<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span
3012style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3013style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3014Selection from plot: select an atom by a left click of the mouse while holding
3015down the Shift key and pointed at the center of the displayed atom, it will
3016turn green if successful and the corresponding entry in the table will be
3017highlighted (in grey); any previous selections will be cleared. To add to .your
3018selection use the right mouse button (Shift down); if a previously selection is
3019reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3020normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3021to select, they may be selected inadvertently. You can rotate the structure
3022anytime during the selection process.</p>
3023
3024<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span
3025style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3026style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3027left click a Name, Type and Sym Op column heading: a dialog box is shown that
3028allows you to select all atoms with that characteristic. For example, selecting
3029the Type column will show all the atom types; your choice will then cause all
3030those atoms to be selected.</p>
3031
3032<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span
3033style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3034style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3035left click a Style, Label or Color column: a dialog box is shown that allows
3036you to select a rendering option for all the atoms. For Color a color choice
3037dialog is displayed that covers the entire color spectrum. Choose a color by
3038any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3039select that color in the Custom colors display and then press OK. <b
3040style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3041have the same color and for Style &#8220;blank&#8221; means the atoms
3042aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3043
3044<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span
3045style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3046style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3047&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3048shows operations that can be performed on your selected atoms. You must select
3049one or more atoms before using any of the menu items.</p>
3050
3051<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3052auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3053style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3054style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3055style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3056style for the selected atoms</p>
3057
3058<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3059auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3060style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3061style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3062style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3063be shown as a label for each atom in selection. The choices are: none, type,
3064name or number.</p>
3065
3066<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3067auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3068style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3069style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3070style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3071the atom; a color choice dialog is displayed that covers the entire color
3072spectrum. Choose a color by any of the means available, press the &#8220;Add to
3073Custom Colors&#8221;, select that color in the Custom colors display and then
3074press OK.</p>
3075
3076<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3077auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3078style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3079style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3080style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the atom
3081color back to their defaults for the selected atoms.</p>
3082
3083<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3084auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3085style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3086style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3087style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3088view point to the first atom in the selection.</p>
3089
3090<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3091auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3092style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3093style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3094style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3095atoms, new ones are added to the bottom of the list after applying your choice
3096of symmetry operator and unit cell translation selected via a dialog display.
3097Duplicate atom positions are not retained. Any anisotropic thermal displacement
3098parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3099
3100<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3101auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3102style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3103style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3104style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3105symmetry operator and unit cell translation to the set of selected atoms; they
3106will be changed in place. Any anisotropic thermal displacement parameters (<span
3107class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3108
3109<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3110auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3111style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3112style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3113style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3114currently in the draw atom table, find all atoms that belong in the
3115coordination sphere around the selected atoms via unit cell translations. NB:
3116symmetry operations are not used in this search.</p>
3117
3118<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3119auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3120style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3121style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3122</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3123cell</b> - using the atoms currently selected from the draw atom table, find
3124all atoms that fall inside or on the edge/surface/corners of the unit cell.
3125This operation is frequently performed before Fill CN-sphere.</p>
3126
3127<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3128auto;text-indent:-.25in;mso-list:l12 level1 lfo14'><![if !supportLists]><span
3129style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3130style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3131</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
3132atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
3133the Atoms table. You should do this operation after any changes in the Atoms table,
3134e.g. by a structure refinement.</p>
3135
3136<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo13'><![if !supportLists]><span
3137style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3138style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3139&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3140menu gives a choice of geometric calculations to be performed with the selected
3141atoms. You must select the appropriate number of atoms for these to work and
3142the computation is done for the atoms in selection order.</p>
3143
3144<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3145auto;text-indent:-.25in;mso-list:l11 level1 lfo15'><![if !supportLists]><span
3146style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3147style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3148style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <span class=SpellE><b
3149style='mso-bidi-font-weight:normal'>Tors</b></span><b style='mso-bidi-font-weight:
3150normal'>. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected, a
3151distance, angle or torsion angle will be found for them. The angles are
3152computed for the atoms in their selection order. The torsion angle is a right
3153hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3154estimated standard deviation is given for the calculated value if a current
3155variance-covariance matrix is available. The result is shown on the console
3156window; it may be cut &amp; pasted to another application (e.g. Microsoft
3157Word).</p>
3158
3159<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3160text-indent:-.25in;mso-list:l11 level1 lfo15'><![if !supportLists]><span
3161style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3162style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3163style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3164are selected, a best plane is determined for them. The result is shown on the
3165console window; it may be cut &amp; pasted to another application (e.g.
3166Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3167plane coordinates where the largest range is over the X-axis and the smallest
3168is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3169center of the selection. Root mean square displacements along each axis for the
3170best plane are also listed. The Z-axis RMS value indicates the flatness of the
3171proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3172(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3173atoms with respect to a coordinate system where the X-axis is along the longest
3174axis of the atom grouping and the Z-axis is along the shortest distance. The
3175origin is at the <span class=SpellE>unweighted</span> center of the selected
3176atoms.</p>
3177
3178<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3179
3180<p class=MsoNormal>This gives the list of reflections used in a Pawley
3181refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3182style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3183style='color:#00B0F0'>.</span></p>
3184
3185<h5>What can I do here?</h5>
3186
3187<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span
3188style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3189style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3190<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3191
3192<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3193auto;text-indent:-.25in;mso-list:l10 level2 lfo17'><![if !supportLists]><span
3194style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3195style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3196style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3197new set of Pawley reflections, over writing any preexisting Pawley set. They
3198are generated with d-<span class=SpellE>spacings</span> larger than the limit
3199set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3200for this phase. By default the refine flags are not set and the <span
3201class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3202class=SpellE>hkl</span>) = 100.0.</p>
3203
3204<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3205auto;text-indent:-.25in;mso-list:l10 level2 lfo17'><![if !supportLists]><span
3206style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3207style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3208style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3209an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3210class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3211reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3212the <a href="#Data">Data</a> tab.</p>
3213
3214<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3215auto;text-indent:-.25in;mso-list:l10 level2 lfo17'><![if !supportLists]><span
3216style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3217style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3218style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3219set of Pawley reflections.</p>
3220
3221<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span
3222style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3223style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3224can change the refine flags either by clicking on the box or by selecting one
3225and then selecting the column (a single click on the column heading). Then type
3226&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3227You should deselect those reflections that fall below the lower limit or above
3228the upper limit of the powder pattern otherwise you may have a singular matrix
3229error in your Pawley refinement.</p>
3230
3231<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span
3232style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3233style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3234can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3235class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3236typing in the new value and then pressing enter or selecting somewhere else in
3237the table.</p>
3238
3239<div class=MsoNormal align=center style='text-align:center'><span
3240style='mso-fareast-font-family:"Times New Roman"'>
3241
3242<hr size=2 width="100%" align=center>
3243
3244</span></div>
3245
3246<div class=MsoNormal align=center style='text-align:center'><span
3247style='mso-fareast-font-family:"Times New Roman"'>
3248
3249<hr size=2 width="100%" align=center>
3250
3251</span></div>
3252
3253<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3254GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3255style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3256style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3257
3258<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3259window presents all the graphical material as a multipage tabbed set of plots
3260utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3261has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3262
3263<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3264mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3265src=graphbar.jpg></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3266
3267<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3268are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3269
3270<ul type=disc>
3271 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3272     mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
3273     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3274 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3275     mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
3276     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3277 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3278     mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
3279     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3280     of the Back button <o:p></o:p></span></li>
3281 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3282     mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
3283     "Times New Roman"'>Pan: allows you to control panning across the plot
3284     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3285 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3286     mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
3287     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3288     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3289 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3290     mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
3291     "Times New Roman"'>Save: allows you to save the currently displayed plot
3292     in one of several graphical formats suitable for printing or insertion in
3293     a document.<o:p></o:p></span></li>
3294 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3295     mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
3296     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3297</ul>
3298
3299<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3300
3301<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3302the toolbar may be a status bar that on the left may show either an instruction
3303for a keyed input or a pull down selection of keyed input; on the right may be
3304displayed position dependent information that is updated as the mouse is moved
3305over the plot region.<o:p></o:p></span></p>
3306
3307<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3308
3309<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3310specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3311
3312<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3313
3314<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3315powder patterns that are part of your project are shown on this page. They can
3316be displayed as a stack of powder patterns, just a single pattern or as a
3317contour image of the peak intensities. What can be done here will depend on
3318which is displayed and on which item in the GSAS-II data tree you have
3319selected.<o:p></o:p></span></p>
3320
3321<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3322
3323<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
3324style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3325style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3326style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3327the plot, the plot status line will show the cursor position in 2</span><span
3328style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3329style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3330intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3331Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3332style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3333
3334<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
3335style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3336style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3337the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3338press&#8217; </b>&#8211; you can either press the key on the key board or
3339select from the pull down menu. For line plots:</p>
3340
3341<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3342auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3343style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3344style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3345class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3346style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3347plot of multiple powder profiles, increase the offset to the left. Does not
3348apply if only one pattern.</p>
3349
3350<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3351auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3352style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3353style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3354class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3355style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
3356of multiple powder profiles, increase the offset to the left. Does not apply if
3357only one pattern.</p>
3358
3359<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3360auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3361style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3362style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3363class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3364style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3365multiple powder profiles, increase the offset down. Does not apply if only one
3366pattern.</p>
3367
3368<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3369auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3370style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3371style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3372class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3373style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3374multiple powder profiles, increase the offset up. Does not apply if only one
3375pattern.</p>
3376
3377<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3378auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3379style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3380style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3381class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3382style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3383of multiple powder profiles, reset to no offset. Does not apply if only one
3384pattern.</p>
3385
3386<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3387auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3388style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3389style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3390class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
3391style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
3392y-axis to be the log10 of the intensity; difference curve is not shown for
3393log(I) on.</p>
3394
3395<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3396auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3397style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3398style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3399class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
3400style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple powder
3401profiles, then a contour plot is shown of the observed intensities. All data
3402sets must be the same length as the first one to be included in the contour
3403plot.</p>
3404
3405<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3406auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3407style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3408style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3409style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
3410x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
3411style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
3412taken at different energies on the same x-axis scale.</p>
3413
3414<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3415auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3416style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3417style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3418</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
3419normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
3420&#8211; for multiple powder profiles, this will show only the one selected from
3421the data tree. The offset options are not active.</p>
3422
3423<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3424auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3425style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3426style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3427</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
3428normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
3429sig</b> &#8211; for the pattern selected from the data tree, this will divide
3430the observed, calculated and difference curves by the <span class=SpellE>esd</span>
3431for the data points. Other data sets are not shown.</p>
3432
3433<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3434auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3435style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
3436style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3437style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
3438profiles, only the observed curve is shown.</p>
3439
3440<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
3441style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3442style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3443style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
3444line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
3445
3446<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3447auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3448style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3449style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3450class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3451"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
3452style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
3453style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
3454level chosen for the highest contour color.<o:p></o:p></span></p>
3455
3456<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3457auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3458style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3459style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3460style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
3461raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3462&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
3463
3464<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3465auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3466style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3467style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3468class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'><span
3469style='mso-fareast-font-family:"Times New Roman"'>i</span></b></span></span><b
3470style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>:
3471interpolation method</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3472&#8211; this changes the method used to represent the contours. If selected a
3473dialog box appears with all the possible choices. Default is
3474&#8216;nearest&#8217;; the other useful choice is &#8216;bilinear&#8217;, this
3475will smooth out the contours. <o:p></o:p></span></p>
3476
3477<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3478auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3479style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3480style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3481class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3482"Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
3483style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
3484style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
3485color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
3486black/ white options are &#8216;<span class=SpellE>Greys&#8217;</span> and
3487&#8216;binary&#8217; (for black on white) or &#8216;gray&#8217; (for white on
3488black). Others can be very colorful (but not useful)!<o:p></o:p></span></p>
3489
3490<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3491auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3492style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3493style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3494class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3495"Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span
3496style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span
3497style='mso-fareast-font-family:"Times New Roman"'> &#8211; this turns off contouring
3498and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>
3499
3500<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
3501style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3502style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3503style='mso-fareast-font-family:"Times New Roman"'>Depending on the item chosen
3504for the selected powder pattern in the data tree, the mouse buttons have
3505different actions:<o:p></o:p></span></p>
3506
3507<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3508auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3509style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3510style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3511style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></b><span
3512style='mso-fareast-font-family:"Times New Roman"'> - Modify the values of
3513&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
3514(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
3515line) into position. A left or right mouse click on a data point on the plot
3516will set the associated limit. In either case the appropriate value on the
3517&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
3518
3519<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3520text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
3521style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3522style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3523style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3524
3525<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
3526"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3527
3528<h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span
3529style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3530
3531<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3532variance-covariance matrix as a color coded array is shown on this page. The
3533color bar to the right shows the range of <span class=SpellE>covariances</span>
3534(-1 to 1) and corresponding colors. The parameter names are to the right and the
3535parameter numbers are below the plot.<o:p></o:p></span></p>
3536
3537<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3538
3539<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo20'><![if !supportLists]><span
3540style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3541style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
3542the mouse cursor across the plot. If on a diagonal cell, the parameter name,
3543value and <span class=SpellE>esd</span> is shown both as a tool tip and in the
3544right hand portion of the status bar. If the cursor is off the diagonal, the
3545two parameter names and their covariance are shown in the tool tip and the
3546status bar.</p>
3547
3548<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo20'><![if !supportLists]><span
3549style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3550style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
3551the Zoom and Pan buttons to focus on some section of the variance-covariance
3552matrix. </p>
3553
3554<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo20'><![if !supportLists]><span
3555style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3556style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3557class=GramE>Type &#8216;s&#8217;</span> &#8211; A color scheme selection dialog
3558is shown. Select a color scheme and press <span class=GramE>OK,</span> the new
3559color scheme will be plotted. The default is &#8216;<span class=SpellE>RdYlGn</span>&#8217;.</p>
3560
3561<h4><a name="Structure_Factors"><span style='mso-fareast-font-family:"Times New Roman"'>Structure
3562Factors </span></a></h4>
3563
3564<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3565plot shows... <o:p></o:p></span></p>
3566
3567<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3568
3569<h4><a name="Powder_Lines"><span style='mso-fareast-font-family:"Times New Roman"'>Powder
3570Lines </span></a></h4>
3571
3572<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3573plot shows the line positions for the peak list<o:p></o:p></span></p>
3574
3575<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3576
3577<h4><a name="Powder_Patterns"></a><span style='mso-fareast-font-family:"Times New Roman"'>Powder
3578Patterns<o:p></o:p></span></h4>
3579
3580<p class=MsoNormal>This plot shows&#8230;.</p>
3581
3582<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3583
3584<h4><a name="Peak_Widths"><span style='mso-fareast-font-family:"Times New Roman"'>Peak
3585Widths </span></a></h4>
3586
3587<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3588plot shows the contributions to the powder pattern peak widths as </span><span
3589style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span
3590style='mso-fareast-font-family:"Times New Roman"'>d/d (= </span><span
3591style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span
3592style='mso-fareast-font-family:"Times New Roman"'>q/q) <span class=SpellE>vs</span>
3593<span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family:
3594"Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d)
3595from the Gaussian and <span class=SpellE>Lorentzian</span> parts of the profile
3596function. The computed curves are based on the values of U, V, W, X and Y shown
3597in the Instrument Parameters window in parentheses. These are the values for
3598the instrument contribution that were set when the powder pattern was first
3599read in to GSAS-II. If individual peak fitting has been performed, the values
3600of &#8216;sig&#8217; &amp; &#8216;<span class=SpellE>gam</span>&#8217; for the
3601peaks are plotted as &#8216;+&#8217;; these are computed from the fitted values
3602of U, V, W, X and Y as well as any sig or <span class=SpellE>gam</span>
3603individually refined.<o:p></o:p></span></p>
3604
3605<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
3606
3607<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3608plot shows... <o:p></o:p></span></p>
3609
3610<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3611
3612<h4><a name="Sequential_refinement"></a><span style='mso-fareast-font-family:
3613"Times New Roman"'>Sequential refinement </span></h4>
3614
3615<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3616plot shows the variation of the selected parameters with respect to the data
3617sequence number.<o:p></o:p></span></p>
3618
3619<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3620
3621<h4><a name="2D_Powder_Image"><span style='mso-fareast-font-family:"Times New Roman"'>2D
3622Powder Image </span></a></h4>
3623
3624<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3625plot shows... <o:p></o:p></span></p>
3626
3627<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3628
3629<h4><a name="2D_Integration"><span style='mso-fareast-font-family:"Times New Roman"'>2D
3630Integration </span></a></h4>
3631
3632<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3633plot shows... <o:p></o:p></span></p>
3634
3635<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3636
3637<h4><a name="2D_Transformed_Powder_Image"><span style='mso-fareast-font-family:
3638"Times New Roman"'>2D Transformed Powder Image </span></a></h4>
3639
3640<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3641plot shows... <o:p></o:p></span></p>
3642
3643<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3644
3645<h4><a name=Mustrain><span style='mso-fareast-font-family:"Times New Roman"'>Mustrain
3646</span></a></h4>
3647
3648<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3649plot shows... <o:p></o:p></span></p>
3650
3651<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3652
3653<h4><a name=Size><span style='mso-fareast-font-family:"Times New Roman"'>Size </span></a></h4>
3654
3655<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3656plot shows... <o:p></o:p></span></p>
3657
3658<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3659
3660<h4><a name="Preferred_orientation"><span style='mso-fareast-font-family:"Times New Roman"'>Preferred
3661Orientation </span></a></h4>
3662
3663<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3664plot shows... <o:p></o:p></span></p>
3665
3666<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3667
3668<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3669
3670<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3671
3672<div class=MsoNormal align=center style='text-align:center'><span
3673style='mso-fareast-font-family:"Times New Roman"'>
3674
3675<hr size=2 width="100%" align=center>
3676
3677</span></div>
3678
3679<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last
3680modified: Tue Nov 22 13:19:47 CST 2011 <o:p></o:p></span></p>
3681
3682<!-- hhmts end --></div>
3683
3684</body>
3685
3686</html>
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